N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide

C23H25N3O4S — CID 131944662

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C23H25N3O4S/c27-22(16-9-12-26(13-10-16)19-11-14-31(28,29)15-19)24-18-7-5-17(6-8-18)23-25-20-3-1-2-4-21(20)30-23/h1-8,16,19H,9-15H2,(H,24,27)
InChIKeyXXHOMIYFFDJTEP-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.33
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide (PubChem CID 131944662) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
PubChem CID131944662
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C23H25N3O4S/c27-22(16-9-12-26(13-10-16)19-11-14-31(28,29)15-19)24-18-7-5-17(6-8-18)23-25-20-3-1-2-4-21(20)30-23/h1-8,16,19H,9-15H2,(H,24,27)
InChIKeyXXHOMIYFFDJTEP-UHFFFAOYSA-N
XLogP3.33
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide (CID 131944662) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is XXHOMIYFFDJTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c27-22(16-9-12-26(13-10-16)19-11-14-31(28,29)15-19)24-18-7-5-17(6-8-18)23-25-20-3-1-2-4-21(20)30-23/h1-8,16,19H,9-15H2,(H,24,27).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 131944662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).